SCHEMBL3074458

SCHEMBL3074458

Nc1nc(-c2cccs2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 1.00
NPC1 O15118 5/20 1.00
CYP3A4 P08684 2/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
CYP2C19 P33261 1/20 1.00
KDM4E B2RXH2 8/20 0.66
MEN1 O00255 8/20 0.66
KMT2A Q03164 8/20 0.66
MAPT P10636 7/20 0.66
RAB9A P51151 3/20 0.66
HPGD P15428 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
ALDH1A1 P00352 10/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27935903 0.79 KDM4E (1.00) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL10402769 0.78 KDM4E (0.63) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL5027456 0.78 MEN1 (0.63) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL10402770 0.78 MEN1 (0.63) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL27898786 0.77 NPC1 (0.61) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL27733015 0.75 KDM4E (0.65) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL5760240 0.75 MEN1 (0.59) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL3074455 0.74 NPC1 (0.59) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL10719025 0.74 ALDH1A1 (0.61) HSD17B10NPC1CYP3A4CYP1A2CYP2D6
SCHEMBL4536179 0.73 MEN1 (1.00) HSD17B10NPC1CYP3A4CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
JP-57177060-A None JP disclosed
US-12313546-B2 Sensing devices and chemosensors and compositions relating thereto ROBERT BOSCH GMBH (DE) 2025-05-27 US disclosed
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-11-28 US disclosed
US-20240175141-A1 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. 2024-05-30 US disclosed
US-11974988-B2 Neuroprotective compositions and methods of using the same BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-05-07 US disclosed
WO-2024081967-A2 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. (US) 2024-04-18 WO disclosed
CN-116854683-A Coumarin thiazole derivative and preparation method and application thereof 中北大学 2023-10-10 CN disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
CN-1440383-A PPAR gamma modulators SANKYO CO (JP) 2003-09-03 CN disclosed
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 EP disclosed
US-5112362-A NAVY DYE MIXTURES OF AZO DISPERSE DYES FOR POLYESTER BASF AKTIENGESELLSCHAFT (DE) 1992-05-12 US disclosed
EP-0450434-A2 Marine blue dyestuff mixtures BASF Aktiengesellschaft (DE) 1991-10-09 EP disclosed
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed
US-4841036-A COLORFAST, HEAT RESISTANCE MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1989-06-20 US disclosed
JP-S57177060-A DISAZO DYE FOR POLYESTER FIBER MITSUBISHI CHEM IND LTD 1982-10-30 JP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 HSD17B10 2790/4885NPC1 3091/4885CYP3A4 4501/4885
US-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD HSD17B10 691/4885NPC1 1152/4885CYP3A4 1516/4885
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 HSD17B10 2791/4885NPC1 4214/4885CYP3A4 4667/4885
US-11974988-B2 Neuroprotective compositions and methods of using the same GAP43, NLN, SMN1; SMN2 HSD17B10 1893/4885NPC1 158/4885CYP3A4 4867/4885
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 HSD17B10 1893/4885NPC1 158/4885CYP3A4 4867/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.